SCHEMBL24022853

SCHEMBL24022853

COc1ccc(C)cc1-c1nncnn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22044266 0.81 MAPT (0.41) ALDH1A1CYP3A4KMT2AKDM4ELMNA
SCHEMBL21994273 0.81 S1PR1 (0.42) CYP3A4KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL14951063 0.76 ACHE (0.50) ACHEALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL8379921 0.72 KMT2A (0.49) ACHEALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL24022773 0.71 MAPT (0.55) ACHEALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL14951245 0.71 ACHE (0.44) ACHEALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL16787398 0.71 ACHE (0.44) ACHEALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL14446041 0.71 ACHE (0.58) ACHEALDH1A1CYP3A4KDM4ELMNA
SCHEMBL3857605 0.71 ACHE (0.58) ACHEALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL1505391 0.70 GRM5 (0.42) ACHEALDH1A1CYP3A4KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-3909944-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2021-11-17 — — EP disclosed
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